KEGG   DRUG: DantroleneHelp
Entry
D02347                      Drug                                   

Name
Dantrolene (USAN/INN)
Formula
C14H10N4O5
Exact mass
314.0651
Mol weight
314.253
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG02029  Muscle relaxant
Enzyme substrate
 DG01891  CYP1A1 substrate
 DG01892  CYP1A2 substrate
Remark
Same as: C06939
ATC code: M03CA01
Chemical structure group: DG00778
Product (DG00778): D02274<JP/US>
Efficacy
Skeletal muscle relaxant
Metabolism
Enzyme: CYP1A1 [HSA:1543], CYP1A2 [HSA:1544], CYP3A [HSA:1576 1577 1551]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M03 MUSCLE RELAXANTS
   M03C MUSCLE RELAXANTS, DIRECTLY ACTING AGENTS
    M03CA Dantrolene and derivatives
     M03CA01 Dantrolene
      D02347  Dantrolene (USAN/INN)
USP drug classification [BR:br08302]
 Antispasticity Agents
  Dantrolene
   D02347  Dantrolene (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 7261-97-4
PubChem: 7849406
ChEBI: 4317
ChEMBL: CHEMBL1201288
DrugBank: DB01219
LigandBox: D02347
NIKKAJI: J8.920F
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8y C    15.5572  -14.7001
            2   C8y C    14.3407  -14.0007
            3   O2x O    16.6972  -13.8713
            4   C8x C    15.9920  -16.0399
            5   C8x C    13.1243  -14.7001
            6   C8x C    14.3407  -12.5904
            7   C8y C    17.8373  -14.7001
            8   C8x C    17.4023  -16.0399
            9   C8x C    11.9079  -14.0007
            10  C8x C    13.1243  -11.8911
            11  C2b C    19.0535  -14.0007
            12  C8y C    11.9079  -12.5904
            13  N2b N    20.2759  -14.7001
            14  N2b N    10.6857  -11.8911 #+
            15  N1y N    21.6330  -14.0007
            16  O3a O     9.4224  -12.6842
            17  O3a O    10.6915  -10.4808 #-
            18  C1x C    22.7850  -14.5648
            19  C5x C    21.6450  -12.5904
            20  C5x C    23.7252  -13.5190
            21  N1x N    23.0669  -12.3025
            22  O5x O    20.6049  -11.9315
            23  O5x O    25.0300  -13.5251
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    9  12 2
            12   11  13 2
            13   12  14 1
            14   13  15 1
            15   14  16 2
            16   14  17 1
            17   15  18 1
            18   15  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 2
            22   20  23 2
            23    7   8 2
            24   10  12 1
            25   20  21 1

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